B41NTR
-OEChem-04012115262D
46 47 0 0 0 0 0 0 0999 V2000
2.8660 -5.2500 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
3 15 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 13 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
6 40 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 14 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 43 1 0 0 0 0
19 21 2 0 0 0 0
19 44 1 0 0 0 0
20 22 2 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
M END
$$$$